[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium

C9H19N2O+ — CID 5466661

IUPAC[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium
SMILESC[N+](C)(C)CC1CCC/C1=N\O
InChIInChI=1S/C9H18N2O/c1-11(2,3)7-8-5-4-6-9(8)10-12/h8H,4-7H2,1-3H3/p+1/b10-9+
InChIKeyNHKZUTVLCJZIBU-MDZDMXLPSA-O
MW171.26 g/mol
LogP1.32
Rot. Bonds2

About [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium

[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium (PubChem CID 5466661) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium.

Molecular Properties

Compound Name[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium
PubChem CID5466661
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Name[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium
SMILESC[N+](C)(C)CC1CCC/C1=N\O
InChIInChI=1S/C9H18N2O/c1-11(2,3)7-8-5-4-6-9(8)10-12/h8H,4-7H2,1-3H3/p+1/b10-9+
InChIKeyNHKZUTVLCJZIBU-MDZDMXLPSA-O
XLogP1.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium?
The IUPAC name of [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium (CID 5466661) is [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium.
What is the SMILES notation for [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium?
The canonical SMILES for [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium is C[N+](C)(C)CC1CCC/C1=N\O.
What is the InChIKey of [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium?
The InChIKey is NHKZUTVLCJZIBU-MDZDMXLPSA-O. The full InChI is InChI=1S/C9H18N2O/c1-11(2,3)7-8-5-4-6-9(8)10-12/h8H,4-7H2,1-3H3/p+1/b10-9+.
What are the key properties of [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium?
[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium has a molecular weight of 171.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium is sourced from PubChem (CID 5466661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).